SCHEMBL6614520

SCHEMBL6614520

CCCCC1(CCCC)NSC2=C(C(=O)C(SC)C(OCC(=O)O)=C2)N(c2ccccc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
SLC10A2 Q12908 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14895745 0.87 NR1H4 (0.33)
SCHEMBL3832238 0.85 KMT2A (0.39)
SCHEMBL4617149 0.84 NR1H4 (0.35)
SCHEMBL4630507 0.83 NR1H4 (0.39)
SCHEMBL14895557 0.83 NR1H4 (0.42)
SCHEMBL4631606 0.82 NR1H4 (0.35)
SCHEMBL5709100 0.81 NR1H4 (0.40)
SCHEMBL4664295 0.81 NR1H4 (0.37)
SCHEMBL4616597 0.81 NR1H4 (0.43)
SCHEMBL4596808 0.81 NR1H4 (0.36)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427423-A1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA AstraZeneca AB (SE) 2004-06-16 EP disclosed
WO-2003022286-A1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2003-03-20 WO disclosed